ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004150
RECORD_TITLE: N-HEXYL-EPSILON-CAPROLACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-HEXYL-EPSILON-CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃NO
CH$EXACT_MASS: 197.17796
CH$SMILES: CCCCCCN(C1)C(=O)CCCC1
CH$IUPAC: InChI=1S/C12H23NO/c1-2-3-4-7-10-13-11-8-5-6-9-12(13)14/h2-11H2,1H3
CH$LINK: INCHIKEY JDQRYRLJZGMNIB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90958708

AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004l-8900000000-1c8aca286b9103872ae3
PK$NUM_PEAK: 145
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 14 140
  28 15 150
  29 1.42 14
  30 17 170
  31 0.6 6
  32 0.6 6
  33 0.01 0
  37 0.2 2
  38 0.4 4
  39 9 90
  40 0.2 2
  41 41 410
  42 22 220
  43 22 220
  44 2.7 27
  45 0.8 8
  46 0.1 1
  50 0.2 2
  51 0.06 1
  52 0.4 4
  53 3.1 31
  54 2.9 29
  55 3.02 30
  56 16 160
  57 9 90
  58 2.3 23
  59 0.04 0
  60 0.4 4
  64 0.2 2
  65 0.6 6
  66 0.04 0
  67 6.2 62
  68 2.9 29
  69 13 130
  70 0.82 8
  71 3.1 31
  72 1.1 11
  73 0.4 4
  74 0.02 0
  75 0.5 5
  76 0.4 4
  77 0.6 6
  78 0.04 0
  79 1.4 14
  80 0.6 6
  81 3.2 32
  82 0.19 2
  83 2.8 28
  84 9 90
  85 33 330
  86 0.2 2
  87 0.3 3
  88 0.1 1
  89 0.1 1
  90 0.01 0
  91 1.3 13
  92 0.4 4
  93 0.4 4
  94 0.06 1
  95 2.4 24
  96 2.7 27
  97 2.6 26
  98 6.2 62
  99 9.4 94
  100 1.3 13
  101 0.4 4
  102 0.01 0
  103 0.4 4
  104 0.4 4
  105 0.4 4
  106 0.06 1
  107 0.2 2
  108 0.5 5
  109 0.8 8
  110 0.09 1
  111 0.9 9
  112 8 80
  113 15 150
  114 1.1 11
  115 0.8 8
  116 0.2 2
  117 0.3 3
  118 0.01 0
  121 0.2 2
  122 0.3 3
  123 0.5 5
  124 0.05 1
  125 0.8 8
  126 99.99 999
  127 38.4 384
  128 0.38 4
  129 0.4 4
  132 0.2 2
  133 0.2 2
  134 0.02 0
  135 0.2 2
  136 0.3 3
  137 0.4 4
  138 0.09 1
  139 0.4 4
  140 26 260
  141 8 80
  142 0.1 1
  143 0.1 1
  144 0.1 1
  145 0.1 1
  149 0.03 0
  150 0.3 3
  151 0.3 3
  152 0.4 4
  153 0.02 0
  154 19.4 194
  155 7.8 78
  156 1 10
  157 0.01 0
  160 0.1 1
  161 0.3 3
  162 0.4 4
  163 0.03 0
  164 0.1 1
  165 0.1 1
  166 0.5 5
  167 0.05 1
  168 6 60
  169 4 40
  170 0.6 6
  171 0.01 0
  178 0.1 1
  179 0.1 1
  180 0.6 6
  181 0.02 0
  182 4 40
  183 0.6 6
  184 0.2 2
  191 0.01 0
  192 0.1 1
  193 0.4 4
  194 0.3 3
  195 0.03 0
  196 1.6 16
  197 31 310
  198 6.8 68
  199 0.07 1
  200 0.1 1
//